6-oxo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide
Formula:C19H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-oxo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide is a drug-like molecule.
| MolName | 6-oxo-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-1H-pyridazine-3-carboxamide |
| MolecularFormula | C19H16N4O3 |
| Smiles | O=C(C(C=C1)=NNC1=O)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C19H16N4O3/c24-18-11-10-17(21-22-18)19(25)23-20-12-14-6-8-16(9-7-14)26-13-15-4-2-1-3-5-15/h1-12H,13H2,(H,22,24)(H,23,25) |
| InChIK | JPDIXSBHYDDVHB-UHFFFAOYSA-N |
| TotalMolweight | 348.361 |
| Molweight | 348.361 |
| MonoisotopicMass | 348.122241 |
| CLogP | 2.0439 |
| CLogS | -4.283 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 275.93 |
| Relative PSA | 0.29725 |
| PolarSurfaceArea | 92.15 |
| Druglikeness | 4.14 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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